SCHEMBL7919202

SCHEMBL7919202

O=C(O[Ti]1(OC(=O)c2ccc(F)cc2)C2C(=Cc3ccccc32)CCC2=Cc3ccccc3C21)c1ccc(F)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
PKM P14618 1/20 0.35
MAPT P10636 2/20 0.34
CASP3 P42574 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
KMT2A Q03164 4/20 0.34
MEN1 O00255 2/20 0.34
ATM Q13315 1/20 0.34
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
POLB P06746 3/20 0.32
DHODH Q02127 1/20 0.32
HSD11B1 P28845 1/20 0.32
GAA P10253 1/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7924719 0.93 NPC1 (0.35) NPC1RAB9APKMMAPTCASP3
SCHEMBL7924741 0.90 LMNA (0.36) RAB9AMAPTKMT2AMEN1POLB
SCHEMBL7927198 0.82 LMNA (0.36) RAB9AMAPTKMT2AMEN1POLB
SCHEMBL7925894 0.81 RAB9A (0.36) NPC1RAB9APKMMAPTCASP3
SCHEMBL7927787 0.79 POLB (0.35) POLB
SCHEMBL7931022 0.76 KMT2A (0.39) NPC1MAPTKMT2AMEN1ATM
SCHEMBL7925758 0.75 THRB (0.33)
SCHEMBL7931007 0.75 LMNA (0.33) MAPTKMT2AMEN1
SCHEMBL7927402 0.75
SCHEMBL7919208 0.75 ALDH1A1 (0.32) OPRM1OPRD1OPRK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0867454-B1 POLYMERIZATION CATALYST AND PROCESS FOR PRODUCING POLYMERS IDEMITSU KOSAN CO (JP) 2001-03-21 EP disclosed
US-6075102-A Polymerization catalyst and process for producing polymers IDEMITSU KOSAN CO., LTD. (JP) 2000-06-13 US disclosed
EP-0867454-A1 POLYMERIZATION CATALYST AND PROCESS FOR PRODUCING POLYMERS IDEMITSU KOSAN COMPANY LIMITED (JP) 1998-09-30 EP disclosed